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2-(2-chloro-1H-benzimidazol-1-yl)ethanol
2-(2-chloro-1H-benzimidazol-1-yl)ethanol
ID: BP-11185
CAS:40019-65-6
Supplier:BroadPharm

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SMILES:c1(nc2c(n1CCO)cccc2)Cl	
FORMULA: C9H9ClN2O
MASS: 196.6336
EXACT MASS: 196.0403406
INTERATOMIC DISTANCES

              C   1      N   2      N   3      C   4      C   5     Cl   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    1.2459     0.0000 
   N   3    1.2480     2.0218     0.0000 
   C   4    2.0180     2.0195     1.2519     0.0000 
   C   5    2.0185     1.2478     2.0256     1.2507     0.0000 
  Cl   6    1.2543     2.2281     2.2259     3.2337     3.2348     0.0000 
   C   7    2.2278     3.2325     1.2478     2.2267     3.2349     2.7194 
   C   8    3.2485     3.1991     2.2829     1.2471     2.1625     4.4324 
   C   9    3.2518     2.2833     3.2079     2.1654     1.2500     4.4365 
   O  10    3.8596     5.0603     3.2829     4.3596     5.3086     3.6654 
   C  11    2.6100     3.8217     2.1599     3.3430     4.1626     2.4854 
   C  12    4.1295     3.7270     3.3762     2.1634     2.4978     5.3726 
   C  13    4.1319     3.3750     3.7339     2.5000     2.1654     5.3754 

              C   7      C   8      C   9      O  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.8197     0.0000 
   C   9    4.3548     2.4978     0.0000 
   O  10    2.1334     4.8500     6.4706     0.0000 
   C  11    1.2491     4.0607     5.3662     1.2521     0.0000 
   C  12    4.0559     1.2500     2.1625     6.1000     5.2875     0.0000 
   C  13    4.6859     2.1634     1.2507     6.8104     5.8406     1.2471 

              C  13
              -----------
   C  13    0.0000 



ATOMIC CHARGES
   C   1    0.2051197964
   N   2   -0.2166764132
   N   3   -0.2996401775
   C   4    0.0795954838
   C   5    0.0995069379
  Cl   6   -0.0426238680
   C   7    0.1437882773
   C   8    0.0187810422
   C   9    0.0206508891
   O  10   -0.2182470347
   C  11    0.2065201004
   C  12    0.0015814536
   C  13    0.0016435126


BOND ANGLES
   2    1    3  Nar  Car  Nar    108.329
   2    1    6  Nar  Car   Cl    126.036
   3    1    6  Nar  Car   Cl    125.635
   1    2    5  Car  Nar  Car    108.080
   1    3    4  Car  Nar  Car    107.655
   1    3    7  Car  Nar   C3    126.409
   4    3    7  Car  Nar   C3    125.935
   3    4    8  Nar  Car  Car    131.983
   3    4    5  Nar  Car  Car    108.076
   5    4    8  Car  Car  Car    119.941
   2    5    9  Nar  Car  Car    132.158
   2    5    4  Nar  Car  Car    107.860
   4    5    9  Car  Car  Car    119.982
   3    7   11  Nar   C3   C3    119.770
   4    8   12  Car  Car  Car    120.077
   5    9   13  Car  Car  Car    119.982
   7   11   10   C3   C3   O3    117.064
   8   12   13  Car  Car  Car    120.077
   9   13   12  Car  Car  Car    119.941


TORSION ANGLES
   5    2    1    3      0.026
   5    2    1    6    179.974
   4    3    1    2      0.026
   4    3    1    6    179.974
   7    3    1    2    179.974
   7    3    1    6      0.026
   8    4    3    1    179.974
   8    4    3    7      0.026
   5    4    3    1      0.026
   5    4    3    7    179.974
   9    5    2    1    179.974
   4    5    2    1      0.026
  11    7    3    1      0.026
  11    7    3    4    179.974
  12    8    4    3    179.974
  12    8    4    5      0.026
  13    9    5    2    179.974
  13    9    5    4      0.026
  10   11    7    3    179.974
  13   12    8    4      0.026
  12   13    9    5      0.026
   2    5    4    3      0.026
   2    5    4    8    179.974
   9    5    4    3    179.974
   9    5    4    8      0.026
   9   13   12    8      0.026